CID 799420

5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde

Structural Information

Molecular Formula
C12H6ClF3O2
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C=O)C(F)(F)F)Cl
InChI
InChI=1S/C12H6ClF3O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-6H
InChIKey
ONQGWRANUXCWOH-UHFFFAOYSA-N
Compound name
5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

274.00085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00813 152.2
[M+Na]+ 296.99007 164.2
[M-H]- 272.99357 156.7
[M+NH4]+ 292.03467 170.2
[M+K]+ 312.96401 159.6
[M+H-H2O]+ 256.99811 144.7
[M+HCOO]- 318.99905 168.4
[M+CH3COO]- 333.01470 194.2
[M+Na-2H]- 294.97552 156.2
[M]+ 274.00030 153.6
[M]- 274.00140 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe